1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid

C20H25NO3 — CID 21149890

IUPAC1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
SMILESCCC(=O)O.CN1CCC(O)(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H19NO.C3H6O2/c1-18-13-12-17(19,15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14;1-2-3(4)5/h2-11,16,19H,12-13H2,1H3;2H2,1H3,(H,4,5)
InChIKeyHBYXSFUWCGJZDU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.43
Rot. Bonds3

About 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid

1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid (PubChem CID 21149890) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid.

Molecular Properties

Compound Name1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
PubChem CID21149890
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
SMILESCCC(=O)O.CN1CCC(O)(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H19NO.C3H6O2/c1-18-13-12-17(19,15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14;1-2-3(4)5/h2-11,16,19H,12-13H2,1H3;2H2,1H3,(H,4,5)
InChIKeyHBYXSFUWCGJZDU-UHFFFAOYSA-N
XLogP3.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid?
The IUPAC name of 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid (CID 21149890) is 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid.
What is the SMILES notation for 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid?
The canonical SMILES for 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid is CCC(=O)O.CN1CCC(O)(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid?
The InChIKey is HBYXSFUWCGJZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C3H6O2/c1-18-13-12-17(19,15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14;1-2-3(4)5/h2-11,16,19H,12-13H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid?
1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid has a molecular weight of 327.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid is sourced from PubChem (CID 21149890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).